Repurposing strategies on pyridazinone-based series by pharmacophore- and structure-driven screening

Giuseppe Florestaa Institute of Pharmaceutical Science, King’s College London, London, UK

Letizia Crocettib NEUROFARBA, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino (Fi), Italy

https://orcid.org/0000-0003-3473-2683

Maria Paola Giovannonib NEUROFARBA, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino (Fi), Italy

https://orcid.org/0000-0003-0310-7850

Pierfrancesco Biaginib NEUROFARBA, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino (Fi), Italy

Agostino Cilibrizzia Institute of Pharmaceutical Science, King’s College London, London, UKCorrespondence[email protected]

https://orcid.org/0000-0002-9711-5183

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Giuseppe Floresta, Letizia Crocetti, Renan Rodrigues de Oliveira Silva, Vincenzo Patamia, Francesca Mazzacuva, Yu Chee Sonia Chen, Claudia Vergelli & Agostino Cilibrizzi. (2023) Optimization of 4‐amino‐pyridazin‐3(2 H )‐one as a valid core scaffold for FABP4 inhibitors . Archiv der Pharmazie.
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Letizia Crocetti, Giuseppe Floresta, Chiara Zagni, Divya Merugu, Francesca Mazzacuva, Renan Rodrigues de Oliveira Silva, Claudia Vergelli, Maria Paola Giovannoni & Agostino Cilibrizzi. (2022) Ligand Growing Experiments Suggested 4-amino and 4-ureido pyridazin-3(2H)-one as Novel Scaffold for FABP4 Inhibition. Pharmaceuticals 15:11, pages 1335.
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Niccolo Cantini, Igor A. Schepetkin, Nadezhda V. Danilenko, Andrei I. Khlebnikov, Letizia Crocetti, Maria Paola Giovannoni, Liliya N. Kirpotina & Mark T. Quinn. (2022) Pyridazinones and Structurally Related Derivatives with Anti-Inflammatory Activity. Molecules 27:12, pages 3749.
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Letizia Crocetti, Giuseppe Floresta, Shabnam Nazir, Claudia Vergelli, Amrit Bhogal, Claudio Biancalani, Nicoletta Cesari, Maria Paola Giovannoni & Agostino Cilibrizzi. (2022) Synthesis and inverse virtual screening of new bi-cyclic structures towards cancer-relevant cellular targets. Structural Chemistry 33:3, pages 769-793.
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Melissa Mejia-Gutierrez, Bryan D. Vásquez-Paz, Leonardo Fierro & Julio R. Maza. (2021) In Silico Repositioning of Dopamine Modulators with Possible Application to Schizophrenia: Pharmacophore Mapping, Molecular Docking and Molecular Dynamics Analysis . ACS Omega 6:23, pages 14748-14764.
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Davide Gentile, Giuseppe Floresta, Vincenzo Patamia, Rita Chiaramonte, Giulia Letizia Mauro, Antonio Rescifina & Michele Vecchio. (2020) An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors. International Journal of Molecular Sciences 21:24, pages 9470.
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Repurposing strategies on pyridazinone-based series by pharmacophore- and structure-driven screening

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Repurposing strategies on pyridazinone-based series by pharmacophore- and structure-driven screening

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